SCHEMBL12678737

SCHEMBL12678737

CCOC(=O)Cn1ccc2c(OCCn3cc(C(c4ccccc4)c4ccccc4)ccc3=O)cccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 6/20 0.50
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ PPARG P37231 3/20 0.41
▸ PPARA Q07869 3/20 0.41
▸ PPARD Q03181 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ NR2F2 P24468 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12678715 0.96 PTGDR2 (0.45) PTGDR2POLBL3MBTL1KDM4EPPARG
SCHEMBL3168468 0.89 PTGDR2 (0.57) PTGDR2PPARGPPARAPPARD
SCHEMBL3168073 0.84 PTGDR2 (0.52) PTGDR2PPARGPPARAPPARD
SCHEMBL12678736 0.84 PTGDR2 (0.49) PTGDR2POLBL3MBTL1ALDH1A1PPARG
SCHEMBL12678735 0.84 POLB (0.44) PTGDR2POLBL3MBTL1KDM4EALDH1A1
SCHEMBL12678726 0.83 LMNA (0.41) PTGDR2POLBL3MBTL1KDM4EALDH1A1
SCHEMBL4414924 0.81 PTGDR2 (0.52) PTGDR2POLBALDH1A1MAPTLMNA
SCHEMBL28784992 0.81 ALDH1A1 (0.47) PTGDR2POLBL3MBTL1KDM4EALDH1A1
SCHEMBL3169481 0.80 PTGDR2 (0.48) PTGDR2POLBL3MBTL1KDM4EALDH1A1
SCHEMBL12678721 0.78 PTGDR2 (0.49) PTGDR2POLBL3MBTL1ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 — — US disclosed
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 — — US disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 — — US disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS HRH2, HRH1, HRH4 PTGDR2 116/4885POLB 4222/4885L3MBTL1 4881/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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